methyl 3-oxidanylidene-2-[[4-[2-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]heptanoate

Systemtic Name: methyl 3-oxidanylidene-2-[[4-[2-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]heptanoate Openeye Name: methyl 3-oxo-2-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]heptanoate CAS Name: 3-oxo-2-[[4-[2-[1-(triphenylmethyl)-5-tetrazolyl]phenyl]phenyl]methyl]heptanoic acid methyl ester IUPAC Name: methyl 3-oxo-2-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]heptanoate Traditional Name: 3-keto-2-[4-[2-(1-trityltetrazol-5-yl)phenyl]benzyl]enanthic acid methyl ester Formula: C41H38N4O3 MolecularWeight: 634.76542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NN=NN3C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)OC

Isomeric SMILES

CCCCC(=O)C(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NN=NN3C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)OC

InChI

InChI=1S/C41H38N4O3/c1-3-4-24-38(46)37(40(47)48-2)29-30-25-27-31(28-26-30)35-22-14-15-23-36(35)39-42-43-44-45(39)41(32-16-8-5-9-17-32,33-18-10-6-11-19-33)34-20-12-7-13-21-34/h5-23,25-28,37H,3-4,24,29H2,1-2H3